2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide

C13H15F4NO — CID 139319313

IUPAC2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1c(F)c(F)c(C)c(F)c1F
InChIInChI=1S/C13H15F4NO/c1-4-6(2)5-18-13(19)8-11(16)9(14)7(3)10(15)12(8)17/h6H,4-5H2,1-3H3,(H,18,19)
InChIKeyRDJAZUJBFYGALL-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.33
Rot. Bonds4

About 2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide

2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide (PubChem CID 139319313) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide
PubChem CID139319313
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1c(F)c(F)c(C)c(F)c1F
InChIInChI=1S/C13H15F4NO/c1-4-6(2)5-18-13(19)8-11(16)9(14)7(3)10(15)12(8)17/h6H,4-5H2,1-3H3,(H,18,19)
InChIKeyRDJAZUJBFYGALL-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865
[(2S)-2-methylbutyl]carbamic acid
CID 147069594
1-N,3-N,5-N-tris(2-methylbutyl)benzene-1,3,5-tricarboxamide
CID 70884498
2,6-difluoro-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387884
2,3,5,6-tetrafluoro-1-N,4-N-bis[(3S)-2-methylpentan-3-yl]benzene-1,4-dicarboxamide
CID 99794491
N-(2-cyanopropyl)-2,3,4,5,6-pentafluorobenzamide
CID 55102144
4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
CID 114088224
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
2-bromo-4-fluoro-N-(2-methylbutyl)benzamide
CID 62693317
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
2-methylbutylcarbamothioic S-acid
CID 87545764
2-methylbutylurea
CID 22179633

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide (CID 139319313) is 2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide is CCC(C)CNC(=O)c1c(F)c(F)c(C)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide?
The InChIKey is RDJAZUJBFYGALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-4-6(2)5-18-13(19)8-11(16)9(14)7(3)10(15)12(8)17/h6H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide?
2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide has a molecular weight of 277.26 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-methyl-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 139319313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).